Glycoside
...
GD000016

Name:
[3,4-bis(acetyloxy)-6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-5-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate

Formula:
C43H36O17

Smiles:
CC(=O)O[C@@H]1[C@H](OC(=O)C=Cc2ccc(O)cc2)[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)O[C@H](COC(=O)C=Cc2ccc(O)cc2)[C@H]1OC(C)=O

Aglycone:
COC(=O)C=Cc1ccc(O)cc1.O=C(O)C=Cc1ccc(O)cc1.O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 17 RingCount: 6
HBD: 5 FractionCSP3: 0.19
AlogP: 4.84 Num_rotatable_bonds: 12
MolWt: 824.74 Num_heavy_atoms: 60
TPSA: 255.02 NumAromaticRings: 5

Unique Aglycone
AD00020
Formula: C10H10O3

Smiles:
COC(=O)C=Cc1ccc(O)cc1
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.1
AlogP: 1.58 Num_rotatable_bonds: 2
MolWt: 178.19 Num_heavy_atoms: 13
TPSA: 46.53 NumAromaticRings: 1
AD00021
Formula: C9H8O3

Smiles:
O=C(O)C=Cc1ccc(O)cc1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 1.49 Num_rotatable_bonds: 2
MolWt: 164.16 Num_heavy_atoms: 12
TPSA: 57.53 NumAromaticRings: 1
AD00022
Formula: C15H10O6

Smiles:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
HBA: 6 RingCount: 3
HBD: 4 FractionCSP3: 0.0
AlogP: 2.28 Num_rotatable_bonds: 1
MolWt: 286.24 Num_heavy_atoms: 21
TPSA: 111.13 NumAromaticRings: 3

Sugarmoiety
SD00013

CC(=O)OC1C(O)OC(O)C(O)C1OC(C)=O